SCHEMBL28818532

SCHEMBL28818532

Cn1nc2c(c1-c1ccc(C(F)(F)F)cc1)CN(C(=O)O)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 5/20 0.46
▸ BRD4 O60885 2/20 0.43
▸ CREBBP Q92793 2/20 0.43
▸ KDM2B Q8NHM5 1/20 0.42
▸ KDM4C Q9H3R0 1/20 0.42
▸ GRM5 P41594 1/20 0.40
▸ KCNK3 O14649 2/20 0.39
▸ DPP4 P27487 1/20 0.39
▸ DPP8 Q6V1X1 1/20 0.39
▸ DPP7 Q9UHL4 1/20 0.39
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ CHRNB2 P17787 1/20 0.36
▸ CHRNB4 P30926 1/20 0.36
▸ CHRNA3 P32297 1/20 0.36
▸ CHRNA4 P43681 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TDP2 O95551 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29844133 0.85 C5AR1 (0.46) P2RX7BRD4CREBBPKDM2BKDM4C
SCHEMBL30045599 0.81 P2RX7 (0.40) P2RX7BRD4CREBBPKDM2BKDM4C
SCHEMBL28818558 0.80 KCNK3 (0.48) P2RX7BRD4CREBBPKDM2BKDM4C
SCHEMBL29844044 0.79 HTR2A (0.39) P2RX7BRD4CREBBPKDM2BKDM4C
SCHEMBL23577483 0.78 P2RX7 (0.40) P2RX7BRD4CREBBPKDM2BKDM4C
SCHEMBL21819349 0.73 P2RX7 (0.67) P2RX7BRD4CREBBPDPP4DPP8
Hydrochloric Acid SCHEMBL29844125 0.71 HTR2C (0.46) GRM5HTR2AHTR2CHTR2BTDP2
SCHEMBL28818541 0.71 MAPK1 (0.49) P2RX7BRD4CREBBP
SCHEMBL31163256 0.70 MAPK1 (0.46) P2RX7BRD4CREBBPKCNK3DPP4
SCHEMBL21893715 0.70 P2RX7 (0.50) P2RX7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114901640-A Novel compounds useful for the treatment of dyslipidemia 兹杜斯生命科学有限公司 2022-08-12 — — CN disclosed
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